6WPX

Crystal structure of Bacillus licheniformis lipase BlEst2 in propetide form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	66.890, 78.315, 166.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.160 - 2.000
R-factor	0.197
Rwork	0.196
R-free	0.22800
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.160	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.077	0.618
Number of reflections	59739	5862
<I/σ(I)>	12.88
Completeness [%]	99.0
Redundancy	6.9
CC(1/2)	0.990	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M calcium chloride, 0.1 M Tris pH 8.0 and 28% (w/v) polyethylene glycol (PEG)